dihydroferulic acid (CHEBI:86612)

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ChEBI Name	dihydroferulic acid

ChEBI ID	CHEBI:86612

Definition	A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB7665965, eMolecules:485772, ZINC000000156571

Download	Molfile XML SDF

Formula

C10H12O4

Net Charge

Average Mass

196.200

Monoisotopic Mass

196.07356

InChI

InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)

InChIKey

BOLQJTPHPSDZHR-UHFFFAOYSA-N

SMILES

C=1(C=C(C(=CC1)O)OC)CCC(=O)O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	See: PubMed
Bulbophyllum vaginatum (NCBI:txid1138424)	See: PubMed
Gypsophila paniculata (NCBI:txid235358)	See: PubMed
Pseudostellaria heterophylla (NCBI:txid418402)	Found in root (BTO:0001188). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	dihydroferulic acid (CHEBI:86612) has functional parent propionic acid (CHEBI:30768) dihydroferulic acid (CHEBI:86612) has role antioxidant (CHEBI:22586) dihydroferulic acid (CHEBI:86612) has role human xenobiotic metabolite (CHEBI:76967) dihydroferulic acid (CHEBI:86612) has role mouse metabolite (CHEBI:75771) dihydroferulic acid (CHEBI:86612) has role plant metabolite (CHEBI:76924) dihydroferulic acid (CHEBI:86612) is a guaiacols (CHEBI:134251) dihydroferulic acid (CHEBI:86612) is a monocarboxylic acid (CHEBI:25384) dihydroferulic acid (CHEBI:86612) is a phenylpropanoid (CHEBI:26004) dihydroferulic acid (CHEBI:86612) is conjugate acid of dihydroferulate (CHEBI:133751)

Incoming	vanilloylacetic acid (CHEBI:142914) has functional parent dihydroferulic acid (CHEBI:86612) dihydroferulate (CHEBI:133751) is conjugate base of dihydroferulic acid (CHEBI:86612)

IUPAC Name

3-(4-hydroxy-3-methoxyphenyl)propanoic acid

Synonyms	Sources
3-(4-hydroxy-3-methoxyphenyl)propionic acid	ChemIDplus
dihydroconiferylic acid	ChemIDplus

Last Modified

15 January 2019